SCHEMBL2455952

SCHEMBL2455952

Cl[Ru](Cl)Cl.c1ccc(-c2ccnc(-c3ccccn3)c2-c2ccccc2)cc1.c1ccc(-c2ccnc(-c3ccccn3)c2-c2ccccc2)cc1.c1ccc(-c2ccnc(-c3ccccn3)c2-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.42
MCL1 Q07820 2/20 0.40
NPY5R Q15761 1/20 0.40
LMNA P02545 3/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
CYP2A6 P11509 1/20 0.38
KDR P35968 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL787679 0.94 TGFBR1 (0.46) TGFBR1MCL1NPY5RLMNACCR1
Hydrochloric Acid SCHEMBL1572132 0.92 TGFBR1 (0.45) TGFBR1MCL1NPY5RLMNACCR1
Hydrochloric Acid SCHEMBL2455950 0.92 TGFBR1 (0.45) TGFBR1MCL1NPY5RLMNACCR1
Dipyridyl SCHEMBL4595525 0.92 KDM4E (0.48) TGFBR1MCL1NPY5RLMNACCR1
SCHEMBL32689469 0.92 TGFBR1 (0.45) TGFBR1MCL1NPY5RLMNACCR1
Dipyridyl SCHEMBL7511159 0.92 KDM4E (0.48) TGFBR1MCL1NPY5RLMNACCR1
SCHEMBL29942138 0.89 TGFBR1 (0.47) TGFBR1MCL1NPY5RLMNACCR1
SCHEMBL923478 0.89 TGFBR1 (0.47) TGFBR1MCL1NPY5RLMNACCR1
SCHEMBL6381236 0.84 TGFBR1 (0.42) TGFBR1MCL1NPY5RLMNACCR1
SCHEMBL3169261 0.81 TGFBR1 (0.51) TGFBR1MCL1LMNACCR1CCR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8462343-B2 Wireless sensor system for environmental monitoring UNIVERSITY OF MARYLAND BALTIMORE COUNTY (US) 2013-06-11 US disclosed
US-20110235041-A1 WIRELESS SENSOR SYSTEM FOR ENVIRONMENTAL MONITORING UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2011-09-29 US disclosed